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We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the…

Chemical Physics · Physics 2021-11-03 Kristof M. Bal

Work is one of the most basic notion in statistical mechanics, with work fluctuation theorems being one central topic in nanoscale thermodynamics. With Hamiltonian chaos commonly thought to provide a foundation for classical statistical…

Statistical Mechanics · Physics 2017-02-01 Jiawen Deng , Alvis Mazon Tan , Peter Hanggi , Jiangbin Gong

As a natural approach to modeling system safety conditions, chance constraint (CC) seeks to satisfy a set of uncertain inequalities individually or jointly with high probability. Although a joint CC offers stronger reliability certificate,…

Optimization and Control · Mathematics 2022-04-04 Haoming Shen , Ruiwei Jiang

We have studied the Jarzynski equality (JE) in van der Pol and Rayleigh oscillators which are typical deterministic non-Hamiltonian models, but not expected to rigorously satisfy the JE because they are not microscopically reversible. Our…

Statistical Mechanics · Physics 2015-05-28 Hideo Hasegawa

For an overdamped colloidal particle diffusing in a fluid in a controllable, virtual potential, we show that arbitrarily slow transformations, produced by smooth deformations of a double-well potential, need not be reversible. The…

Statistical Mechanics · Physics 2018-11-06 Momčilo Gavrilov , John Bechhoefer

We show, both analytically and numerically, that for a nonlinear system making a transition from one equilibrium state to another under the action of an external time dependent force, the work probability distribution is in general…

Statistical Mechanics · Physics 2009-11-11 Arnab Saha , J. K. Bhattacharjee

We consider the Non-Equilibrium Steady State induced by two infinite quantum thermal reservoirs at different temperatures and derive an inequality giving the upper bound of the work extracted by cyclic operations. This upper bound tends to…

Statistical Mechanics · Physics 2024-06-19 Kazuki Yamaga

The need of discriminating between different quantum states is a fundamental issue in Quantum Information and Communication. The actual realization of generally optimal strategies in this task is often limited by the need of supplemental…

Quantum Physics · Physics 2021-07-22 Alessandro Laneve , Andrea Geraldi , Frenkli Hamiti , Paolo Mataloni , Filippo Caruso

A method to generate reactive trajectories, namely equilibrium trajectories leaving a metastable state and ending in another one is proposed. The algorithm is based on simulating in parallel many copies of the system, and selecting the…

Statistical Mechanics · Physics 2015-05-19 Frédéric Cérou , Arnaud Guyader , Tony Lelièvre , David Pommier

The past two decades witnessed important developments in the field of non-equilibrium statistical mechanics. Among these developments, the Jarzynski equality, being a milestone following the landmark work of Clausius and Kelvin, stands out.…

Quantum Physics · Physics 2015-06-22 Shuoming An , Jing-Ning Zhang , Mark Um , Dingshun Lv , Yao Lu , Junhua Zhang , Zhang-qi Yin , H. T. Quan , Kihwan Kim

Let Delta F be the free energy difference between two equilibrium states of a system. An established method of numerically computing Delta F involves a single, long ``switching simulation'', during which the system is driven reversibly from…

Statistical Mechanics · Physics 2009-11-07 D. A. Hendrix , C. Jarzynski

We derive exact fluctuation equalities for open systems that recover free energy differences between two equilibrium endpoints connected by nonequilibrium processes with arbitrary dynamics and coupling. The exponential of the free energy…

Statistical Mechanics · Physics 2025-12-15 Mohammad Rahbar , Christopher J. Stein

Application of Jarzynski nonequilibrium work relation to free energy calculation is limited by the very slow convergence of the estimate when dissipation is high. We present a novel perturbation protocol able to improve the convergence of…

Statistical Mechanics · Physics 2008-01-03 Ognjen Perisic , Hui Lu

Extracting equilibrium information from nonequilibrium measurements is a challenge task of great importance in understanding the thermodynamic properties of physical, chemical, and biological systems. The discovery of the Jarzynski equality…

Statistical Mechanics · Physics 2021-03-29 Geng Li , Z. C. Tu

This work is concerned with second-order necessary and sufficient optimality conditions for optimal control of a non-smooth semilinear elliptic partial differential equation, where the nonlinearity is the non-smooth max-function and thus…

Optimization and Control · Mathematics 2023-11-28 Vu Huu Nhu

We derive the nonequilibrium transient state work fluctuation theorem and also the Jarzynski equality for a classical harmonic oscillator linearly coupled to a harmonic heat bath, which is dragged by an external agent. Coupling with the…

Statistical Mechanics · Physics 2012-07-09 Rajarshi Chakrabarti

We investigate the work fluctuations in an overdamped non-equilibrium process that is stopped at a stochastic time. The latter is characterized by a first passage event that marks the completion of the non-equilibrium process. In…

Statistical Mechanics · Physics 2024-03-20 Iago N Mamede , Prashant Singh , Arnab Pal , Carlos E. Fiore , Karel Proesmans

We study the statistics, in stationary conditions, of the work $W_\tau$ done by the active force in different systems of self-propelled particles in a time $\tau$. We show the existence of a critical value $W_\tau ^\dag$ such that…

Statistical Mechanics · Physics 2017-10-17 Francesco Cagnetta , Federico Corberi , Giuseppe Gonnella , Antonio Suma

The work fluctuations of a harmonic oscillator in contact with a thermostat and driven out of equilibrium by an external force are studied experimentally. For the work both the transient and stationary state fluctuation theorems hold. The…

Statistical Mechanics · Physics 2016-08-14 Sylvain Joubaud , Nicolas Garnier , Frédéric Douarche , Artem Petrosyan , Sergio Ciliberto

Non-equilibrium quantum thermodynamics is essential to describe new devices that operate far from the regime where the usual thermodynamical laws are obeyed. When quantum fluctuations dominate, defining and measuring work and heat, two…